SCHEMBL580192

SCHEMBL580192

COCC(=O)Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RECQL P46063 1/20 0.60
ATM Q13315 1/20 0.60
OPRM1 P35372 4/20 0.60
OPRD1 P41143 3/20 0.60
OPRK1 P41145 2/20 0.60
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
LMNA P02545 1/20 0.58
LTA4H P09960 3/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5739389 0.91 MEN1 (0.51) MEN1KMT2ARECQLATMOPRM1
SCHEMBL579606 0.85 OPRM1 (0.65) MEN1KMT2ARECQLATMOPRM1
SCHEMBL579551 0.83 RECQL (0.57) MEN1KMT2ARECQLATMOPRM1
SCHEMBL579469 0.82 OPRM1 (0.67) MEN1KMT2ARECQLATMOPRM1
SCHEMBL9154589 0.79 LTA4H (0.79) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL579645 0.79 MEN1 (0.56) MEN1KMT2ARECQLATMOPRM1
SCHEMBL22069565 0.79 RECQL (0.75) MEN1KMT2ARECQLOPRM1OPRD1
SCHEMBL580225 0.78 SMN1; SMN2 (0.71) MEN1KMT2ARECQLATMOPRM1
SCHEMBL9081140 0.78 LTA4H (0.82) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL8499156 0.78 LTA4H (0.82) MEN1KMT2AATMOPRM1OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP claimed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US claimed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US claimed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP claimed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO claimed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 US disclosed
US-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 MEN1 4770/4885KMT2A 3472/4885RECQL 1673/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 MEN1 4770/4885KMT2A 3472/4885RECQL 1673/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 MEN1 4770/4885KMT2A 3472/4885RECQL 1673/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.